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CAS 1090553-79-9 Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate molecular structure lightbox
CAS RN: 1090553-79-9

Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate

Product Availability

Choose a grade to view its available package options.

5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250706 10g In stock Shanghai Inquiry
Batchno.20250615 1g In stock Shanghai Inquiry
Batchno.20250711 250mg In stock Shanghai Inquiry
Batchno.20250517 25g Out of stock Inquiry
Batchno.20250417 5g In stock Shanghai Inquiry
  • Product code: SSC-010222
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g, 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1090553-79-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry
5g ＞97% 0 Out of Stock Hong Kong Inquiry

1090553-79-9 / methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate

Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate | Methyl 1-(4-fluorophenyl)cyclobutanecarboxylate | MFCD11810428

Standard CAS: 1090553-79-9 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1090553-79-9
Multi CAS
No
Molecular Formula
C12H13FO2
Molecular Weight
208.230000
Exact Mass
208.089958
SMILES
COC(=O)C1(CCC1)C2=CC=C(C=C2)F
InChI
InChI=1S/C12H13FO2/c1-15-11(14)12(7-2-8-12)9-3-5-10(13)6-4-9/h3-6H,2,7-8H2,1H3
InChIKey
DKJXCIWYFJGWQR-UHFFFAOYSA-N
Synonyms
Methyl 1-(4-fluorophenyl)cyclobutane-1-carboxylate Methyl 1-(4-fluorophenyl)cyclobutanecarboxylate MFCD11810428 SCHEMBL31117190 DTXSID10653884

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
53.95
TPSA
26.3

LogP / Solubility

WLOGP
2.42
MLOGP
2.13
XLogP3
2.7
Consensus LogP
2.42
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.26
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.27

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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